N-[[4-(oxidanylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide

Systemtic Name: N-[[4-(oxidanylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide Openeye Name: N-[[4-(hydroxycarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide CAS Name: N-[[4-[(hydroxyamino)-oxomethyl]phenyl]methyl]-3-isoquinolinecarboxamide IUPAC Name: N-[[4-(hydroxycarbamoyl)phenyl]methyl]isoquinoline-3-carboxamide Traditional Name: N-[4-(hydroxycarbamoyl)benzyl]isoquinoline-3-carboxamide Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NCC3=CC=C(C=C3)C(=O)NO

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NCC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C18H15N3O3/c22-17(21-24)13-7-5-12(6-8-13)10-20-18(23)16-9-14-3-1-2-4-15(14)11-19-16/h1-9,11,24H,10H2,(H,20,23)(H,21,22)